5-[methyl(propan-2-yl)amino]-2-[(3S)-1-(2-thiophen-3-ylacetyl)piperidin-3-yl]pyridazin-3-one

C19H26N4O2S — CID 129325553

IUPAC5-[methyl(propan-2-yl)amino]-2-[(3S)-1-(2-thiophen-3-ylacetyl)piperidin-3-yl]pyridazin-3-one
SMILESCC(C)N(C)c1cnn([C@H]2CCCN(C(=O)Cc3ccsc3)C2)c(=O)c1
InChIInChI=1S/C19H26N4O2S/c1-14(2)21(3)17-10-19(25)23(20-11-17)16-5-4-7-22(12-16)18(24)9-15-6-8-26-13-15/h6,8,10-11,13-14,16H,4-5,7,9,12H2,1-3H3/t16-/m0/s1
InChIKeyZTRDUBFYEKLCCN-INIZCTEOSA-N
MW374.51 g/mol
LogP2.56
Rot. Bonds5

About 5-[methyl(propan-2-yl)amino]-2-[(3S)-1-(2-thiophen-3-ylacetyl)piperidin-3-yl]pyridazin-3-one

5-[methyl(propan-2-yl)amino]-2-[(3S)-1-(2-thiophen-3-ylacetyl)piperidin-3-yl]pyridazin-3-one (PubChem CID 129325553) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 5-[methyl(propan-2-yl)amino]-2-[(3S)-1-(2-thiophen-3-ylacetyl)piperidin-3-yl]pyridazin-3-one.

Molecular Properties

Compound Name5-[methyl(propan-2-yl)amino]-2-[(3S)-1-(2-thiophen-3-ylacetyl)piperidin-3-yl]pyridazin-3-one
PubChem CID129325553
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name5-[methyl(propan-2-yl)amino]-2-[(3S)-1-(2-thiophen-3-ylacetyl)piperidin-3-yl]pyridazin-3-one
SMILESCC(C)N(C)c1cnn([C@H]2CCCN(C(=O)Cc3ccsc3)C2)c(=O)c1
InChIInChI=1S/C19H26N4O2S/c1-14(2)21(3)17-10-19(25)23(20-11-17)16-5-4-7-22(12-16)18(24)9-15-6-8-26-13-15/h6,8,10-11,13-14,16H,4-5,7,9,12H2,1-3H3/t16-/m0/s1
InChIKeyZTRDUBFYEKLCCN-INIZCTEOSA-N
XLogP2.56
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[methyl(propan-2-yl)amino]-2-[(3S)-1-(2-thiophen-3-ylacetyl)piperidin-3-yl]pyridazin-3-one with MolForge

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Related Compounds

5-[methyl(propan-2-yl)amino]-2-[(3R)-1-[2-(2-propan-2-yl-1,3-thiazol-4-yl)acetyl]piperidin-3-yl]pyridazin-3-one
CID 129323555
5-[methyl(propan-2-yl)amino]-2-[(3S)-1-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)acetyl]piperidin-3-yl]pyridazin-3-one
CID 129324133
6-[[2-[(3R)-3-[4-[methyl(propan-2-yl)amino]-6-oxopyridazin-1-yl]piperidin-1-yl]-2-oxoethyl]amino]pyridine-3-carbonitrile
CID 129324157
2-[1-(3-ethyltriazole-4-carbonyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one
CID 128524139
2-[1-(2-amino-2-methylpropyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one;hydrochloride
CID 120857935
5-[methyl(propan-2-yl)amino]-2-[(3R)-1-(2-methyl-4-pyridinyl)piperidin-3-yl]pyridazin-3-one
CID 124881433
5-[methyl(propan-2-yl)amino]-2-[(3S)-1-(2-methyl-4-pyridinyl)piperidin-3-yl]pyridazin-3-one
CID 124881432
1-[(3S)-3-hydroxypiperidin-1-yl]-2-thiophen-3-ylethanone
CID 71649381
5-(azetidin-1-yl)-2-[1-[2-(3-propan-2-yloxyphenyl)acetyl]piperidin-3-yl]pyridazin-3-one
CID 128970455
1-[3-(methylaminomethyl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 61205444
2-[(3R)-1-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one
CID 129324233
2-[1-(3,4-dihydro-2H-pyran-2-ylmethyl)piperidin-3-yl]-5-[methyl(propan-2-yl)amino]pyridazin-3-one
CID 122139461

Frequently Asked Questions

What is the IUPAC name of 5-[methyl(propan-2-yl)amino]-2-[(3S)-1-(2-thiophen-3-ylacetyl)piperidin-3-yl]pyridazin-3-one?
The IUPAC name of 5-[methyl(propan-2-yl)amino]-2-[(3S)-1-(2-thiophen-3-ylacetyl)piperidin-3-yl]pyridazin-3-one (CID 129325553) is 5-[methyl(propan-2-yl)amino]-2-[(3S)-1-(2-thiophen-3-ylacetyl)piperidin-3-yl]pyridazin-3-one.
What is the SMILES notation for 5-[methyl(propan-2-yl)amino]-2-[(3S)-1-(2-thiophen-3-ylacetyl)piperidin-3-yl]pyridazin-3-one?
The canonical SMILES for 5-[methyl(propan-2-yl)amino]-2-[(3S)-1-(2-thiophen-3-ylacetyl)piperidin-3-yl]pyridazin-3-one is CC(C)N(C)c1cnn([C@H]2CCCN(C(=O)Cc3ccsc3)C2)c(=O)c1.
What is the InChIKey of 5-[methyl(propan-2-yl)amino]-2-[(3S)-1-(2-thiophen-3-ylacetyl)piperidin-3-yl]pyridazin-3-one?
The InChIKey is ZTRDUBFYEKLCCN-INIZCTEOSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-14(2)21(3)17-10-19(25)23(20-11-17)16-5-4-7-22(12-16)18(24)9-15-6-8-26-13-15/h6,8,10-11,13-14,16H,4-5,7,9,12H2,1-3H3/t16-/m0/s1.
What are the key properties of 5-[methyl(propan-2-yl)amino]-2-[(3S)-1-(2-thiophen-3-ylacetyl)piperidin-3-yl]pyridazin-3-one?
5-[methyl(propan-2-yl)amino]-2-[(3S)-1-(2-thiophen-3-ylacetyl)piperidin-3-yl]pyridazin-3-one has a molecular weight of 374.51 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl(propan-2-yl)amino]-2-[(3S)-1-(2-thiophen-3-ylacetyl)piperidin-3-yl]pyridazin-3-one is sourced from PubChem (CID 129325553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).